N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide

C12H19NO3S — CID 79387593

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-12(2,14)10-13(3)17(15,16)9-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeyJFJFIGVFXFGEGT-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.22
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide (PubChem CID 79387593) has the molecular formula C12H19NO3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide
PubChem CID79387593
Molecular FormulaC12H19NO3S
Molecular Weight257.36 g/mol
Exact Mass257.11
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-12(2,14)10-13(3)17(15,16)9-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeyJFJFIGVFXFGEGT-UHFFFAOYSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide (CID 79387593) is N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide is CN(CC(C)(C)O)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is JFJFIGVFXFGEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2,14)10-13(3)17(15,16)9-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 79387593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).